N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine

C28H24N6 — CID 137115576

IUPACN-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H24N6/c1-17(2)31-21-11-20(15-30-16-21)18-8-9-26-24(12-18)28(34-33-26)27-13-23-22(6-3-7-25(23)32-27)19-5-4-10-29-14-19/h3-17,31-32H,1-2H3,(H,33,34)
InChIKeyBVGYLTDBERXWRD-UHFFFAOYSA-N
MW444.54 g/mol
LogP6.66
Rot. Bonds5

About N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine

N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine (PubChem CID 137115576) has the molecular formula C28H24N6 and a molecular weight of 444.54 g/mol. Its IUPAC name is N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
PubChem CID137115576
Molecular FormulaC28H24N6
Molecular Weight444.54 g/mol
Exact Mass444.21
IUPAC NameN-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1
InChIInChI=1S/C28H24N6/c1-17(2)31-21-11-20(15-30-16-21)18-8-9-26-24(12-18)28(34-33-26)27-13-23-22(6-3-7-25(23)32-27)19-5-4-10-29-14-19/h3-17,31-32H,1-2H3,(H,33,34)
InChIKeyBVGYLTDBERXWRD-UHFFFAOYSA-N
XLogP6.66
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.54
LogP ≤ 56.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The IUPAC name of N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine (CID 137115576) is N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine.
What is the SMILES notation for N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The canonical SMILES for N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)cccc5[nH]4)c3c2)c1.
What is the InChIKey of N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
The InChIKey is BVGYLTDBERXWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6/c1-17(2)31-21-11-20(15-30-16-21)18-8-9-26-24(12-18)28(34-33-26)27-13-23-22(6-3-7-25(23)32-27)19-5-4-10-29-14-19/h3-17,31-32H,1-2H3,(H,33,34).
What are the key properties of N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine?
N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine has a molecular weight of 444.54 g/mol, XLogP of 6.66, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-5-[3-(4-pyridin-3-yl-1H-indol-2-yl)-1H-indazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 137115576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).